3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine

C12H26N4 — CID 104883616

IUPAC3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine
SMILESCCCN(/C(=N/C1CCCC1)NN)C(C)C
InChIInChI=1S/C12H26N4/c1-4-9-16(10(2)3)12(15-13)14-11-7-5-6-8-11/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyCEYSBMNWQORSAP-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.87
Rot. Bonds4

About 3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine

3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine (PubChem CID 104883616) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine
PubChem CID104883616
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine
SMILESCCCN(/C(=N/C1CCCC1)NN)C(C)C
InChIInChI=1S/C12H26N4/c1-4-9-16(10(2)3)12(15-13)14-11-7-5-6-8-11/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyCEYSBMNWQORSAP-UHFFFAOYSA-N
XLogP1.87
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
CID 104885486
2-cyclopentyl-1-propan-2-yl-1-propylguanidine
CID 62362054
3-amino-2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 104883686
2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine
CID 62361423
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
CID 104884499
3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine
CID 104883533
3-amino-2-cyclohexyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
CID 102999147
3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine
CID 104887487
N-amino-N'-cyclopentyl-2-methylbutanimidamide
CID 61361320
3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine
CID 104885238

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine?
The IUPAC name of 3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine (CID 104883616) is 3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine.
What is the SMILES notation for 3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine?
The canonical SMILES for 3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine is CCCN(/C(=N/C1CCCC1)NN)C(C)C.
What is the InChIKey of 3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine?
The InChIKey is CEYSBMNWQORSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-4-9-16(10(2)3)12(15-13)14-11-7-5-6-8-11/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine?
3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine has a molecular weight of 226.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine is sourced from PubChem (CID 104883616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).